Cheminformatic Tools and Databases for Pharmacology

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
M OZANIMOD (is an active metabolite)

OZANIMOD


ATC L04AA38

IMMUNOMODULATING
SPHINGOSINE 1- PHOSPHATE RECEPTOR (SIP) MODULATOR
TREATMENT OF RELAPSING FORMS OF MULTIPLE SCLEROSIS (MS)

-

PPB 99.3 PERCENT

HT 264 HOUR

SPHINGOSINE 1- PHOSPHATE RECEPTORS S1P 1 AND 5

Sphingosine 1-phosphate receptor 1 agonist P21453 S1PR1_HUMANEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
OZANIMOD (has an active metabolite)

OZANIMOD


ATC L04AA38

IMMUNOMODULATING
SPHINGOSINE 1- PHOSPHATE RECEPTOR (SIP) MODULATOR
TREATMENT OF RELAPSING FORMS OF MULTIPLE SCLEROSIS (MS)

ORAL

Cmax 0.6 NANOMOLAR

Tmax 7 HOUR

VD 5590 LITER

PPB 98.2 PERCENT

Cl 192 LITER / HOUR

HT 21 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

SPHINGOSINE 1- PHOSPHATE RECEPTORS S1P 1 AND 5

Sphingosine 1-phosphate receptor 1 agonist P21453 S1PR1_HUMANEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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